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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-
RN: 155271-35-5
InChIKey: NHHOZHXVAMPIDX-SDNWHVSQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O3

Molecular Weight

  • 396.4882
 
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Names and Synonyms

Synonyms

  • (E)-8-(2-(4-Butoxyphenyl)ethenyl)-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(4-Butoxystyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-35-5

System Generated Number

  • 0155271355

Structure Descriptors

InChI

1S/C22H28N4O3/c1-5-8-15-29-17-12-9-16(10-13-17)11-14-18-23-20-19(24(18)4)21(27)26(7-3)22(28)25(20)6-2/h9-14H,5-8,15H2,1-4H3/b14-11+

InChIKey

NHHOZHXVAMPIDX-SDNWHVSQSA-N

Smiles

CCCCOc1ccc(cc1)/C=C/c2nc3c(n2C)c(=O)n(c(=O)n3CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,